#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:33:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180044 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/38/7033898.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7033898
loop_
_publ_author_name
'Gupta, Sandeep K.'
'Kuppuswamy, Subramaniam'
'Walsh, James P. S.'
'McInnes, Eric J. L.'
'Murugavel, Ramaswamy'
_publ_section_title
;
 Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt
 phosphate framework exhibiting selective CO2 capture.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5587
_journal_page_last               5601
_journal_paper_doi               10.1039/c4dt03379e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C54 H74 Co2 N4 O14 P2'
_chemical_formula_sum            'C54 H74 Co2 N4 O14 P2'
_chemical_formula_weight         1182.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-23 deposited with the CCDC.
2015-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 115.741(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.3601(5)
_cell_length_b                   23.5841(11)
_cell_length_c                   11.9974(5)
_cell_measurement_reflns_used    7664
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.5151
_cell_measurement_theta_min      3.1899
_cell_volume                     2895.3(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16675
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.20
_exptl_absorpt_coefficient_mu    0.694
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light red'
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.321
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         5093
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0378P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                3716
_reflns_number_total             5093
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03379e2.cif
_cod_data_source_block           NEWRM118
_cod_depositor_comments
'Adding full bibliography for 7033896--7033902.cif.'
_cod_original_cell_volume        2895.3(2)
_cod_database_code               7033898
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.6937(2) -0.15762(10) 0.21033(19) 0.0191(5) Uani 1 1 d .
C2 C 0.8244(2) -0.14121(10) 0.24878(19) 0.0205(5) Uani 1 1 d .
C3 C 0.9083(2) -0.18102(11) 0.2383(2) 0.0257(6) Uani 1 1 d .
H3 H 0.9965 -0.1708 0.2602 0.031 Uiso 1 1 calc R
C4 C 0.8666(2) -0.23545(11) 0.1966(2) 0.0264(6) Uani 1 1 d .
H4 H 0.9258 -0.2621 0.1897 0.032 Uiso 1 1 calc R
C5 C 0.7399(2) -0.25084(11) 0.1653(2) 0.0249(6) Uani 1 1 d .
H5 H 0.7127 -0.2885 0.1387 0.030 Uiso 1 1 calc R
C6 C 0.6498(2) -0.21219(10) 0.17164(19) 0.0180(5) Uani 1 1 d .
C7 C 0.8693(2) -0.08356(11) 0.3059(2) 0.0274(6) Uani 1 1 d .
H7 H 0.8027 -0.0552 0.2537 0.033 Uiso 1 1 calc R
C8 C 0.8736(3) -0.08228(13) 0.4357(2) 0.0387(7) Uani 1 1 d .
H8A H 0.7876 -0.0925 0.4301 0.058 Uiso 1 1 calc R
H8B H 0.8970 -0.0441 0.4705 0.058 Uiso 1 1 calc R
H8C H 0.9390 -0.1094 0.4893 0.058 Uiso 1 1 calc R
C9 C 1.0015(2) -0.06515(12) 0.3127(3) 0.0397(7) Uani 1 1 d .
H9A H 1.0699 -0.0908 0.3677 0.060 Uiso 1 1 calc R
H9B H 1.0210 -0.0264 0.3449 0.060 Uiso 1 1 calc R
H9C H 0.9983 -0.0665 0.2298 0.060 Uiso 1 1 calc R
C10 C 0.5095(2) -0.22968(10) 0.1340(2) 0.0227(6) Uani 1 1 d .
H10 H 0.4659 -0.1989 0.1598 0.027 Uiso 1 1 calc R
C11 C 0.4369(2) -0.23595(12) -0.0060(2) 0.0333(7) Uani 1 1 d .
H11A H 0.4424 -0.2003 -0.0456 0.050 Uiso 1 1 calc R
H11B H 0.3451 -0.2450 -0.0292 0.050 Uiso 1 1 calc R
H11C H 0.4767 -0.2665 -0.0334 0.050 Uiso 1 1 calc R
C12 C 0.5001(3) -0.28455(11) 0.1976(2) 0.0341(7) Uani 1 1 d .
H12A H 0.4084 -0.2924 0.1775 0.051 Uiso 1 1 calc R
H12B H 0.5500 -0.2805 0.2874 0.051 Uiso 1 1 calc R
H12C H 0.5361 -0.3160 0.1686 0.051 Uiso 1 1 calc R
C13 C 0.3169(2) 0.17152(10) 0.1053(2) 0.0214(5) Uani 1 1 d .
H13 H 0.2982 0.1641 0.0214 0.026 Uiso 1 1 calc R
C14 C 0.2643(2) 0.22020(10) 0.1329(2) 0.0251(6) Uani 1 1 d .
H14 H 0.2111 0.2451 0.0685 0.030 Uiso 1 1 calc R
C15 C 0.2897(2) 0.23179(11) 0.2533(2) 0.0252(6) Uani 1 1 d .
H15 H 0.2549 0.2648 0.2731 0.030 Uiso 1 1 calc R
C16 C 0.4000(2) 0.20233(11) 0.4750(2) 0.0279(6) Uani 1 1 d .
H16 H 0.3669 0.2345 0.4998 0.033 Uiso 1 1 calc R
C17 C 0.4763(3) 0.16516(12) 0.5605(2) 0.0306(6) Uani 1 1 d .
H17 H 0.4952 0.1714 0.6449 0.037 Uiso 1 1 calc R
C18 C 0.6105(2) 0.07628(11) 0.6130(2) 0.0278(6) Uani 1 1 d .
H18 H 0.6329 0.0804 0.6986 0.033 Uiso 1 1 calc R
C19 C 0.6569(2) 0.03119(12) 0.5721(2) 0.0280(6) Uani 1 1 d .
H19 H 0.7114 0.0037 0.6289 0.034 Uiso 1 1 calc R
C20 C 0.6229(2) 0.02615(11) 0.4455(2) 0.0231(6) Uani 1 1 d .
H20 H 0.6560 -0.0052 0.4182 0.028 Uiso 1 1 calc R
C21 C 0.3678(2) 0.19421(10) 0.3465(2) 0.0207(5) Uani 1 1 d .
C22 C 0.4174(2) 0.14667(10) 0.31113(19) 0.0170(5) Uani 1 1 d .
C23 C 0.5304(2) 0.11617(11) 0.5285(2) 0.0228(6) Uani 1 1 d .
C24 C 0.5003(2) 0.10749(10) 0.4023(2) 0.0196(5) Uani 1 1 d .
C25 C 0.1817(2) 0.03193(12) 0.0401(3) 0.0396(7) Uani 1 1 d .
H25A H 0.1492 0.0614 0.0773 0.059 Uiso 1 1 calc R
H25B H 0.1190 0.0006 0.0115 0.059 Uiso 1 1 calc R
H25C H 0.1926 0.0479 -0.0303 0.059 Uiso 1 1 calc R
C26 C 0.7853(2) 0.07963(12) 0.2654(2) 0.0353(7) Uani 1 1 d .
H26A H 0.8037 0.0901 0.3504 0.053 Uiso 1 1 calc R
H26B H 0.8528 0.0956 0.2445 0.053 Uiso 1 1 calc R
H26C H 0.7852 0.0382 0.2582 0.053 Uiso 1 1 calc R
C27 C 0.8963(3) 0.13254(13) -0.0366(3) 0.0459(8) Uani 1 1 d .
H27A H 0.9625 0.1584 -0.0394 0.069 Uiso 1 1 calc R
H27B H 0.8909 0.0987 -0.0859 0.069 Uiso 1 1 calc R
H27C H 0.9205 0.1214 0.0494 0.069 Uiso 1 1 calc R
N1 N 0.39154(18) 0.13539(8) 0.19116(16) 0.0179(4) Uani 1 1 d .
N2 N 0.54709(17) 0.06289(8) 0.36197(16) 0.0189(4) Uani 1 1 d .
O1 O 0.56941(14) -0.01523(6) 0.18223(13) 0.0179(3) Uani 1 1 d .
O2 O 0.41148(14) 0.07691(6) -0.01745(13) 0.0176(4) Uani 1 1 d .
O3 O 0.38817(14) -0.08223(7) 0.05801(13) 0.0193(4) Uani 1 1 d .
O4 O 0.60508(14) -0.11807(6) 0.21710(13) 0.0178(4) Uani 1 1 d .
O5 O 0.30364(15) 0.01163(7) 0.12938(14) 0.0229(4) Uani 1 1 d .
O6 O 0.66104(15) 0.10131(7) 0.18274(13) 0.0216(4) Uani 1 1 d .
O7 O 0.77533(18) 0.15970(8) -0.08455(19) 0.0495(6) Uani 1 1 d .
P1 P 0.53427(6) -0.07010(2) 0.11161(5) 0.01497(14) Uani 1 1 d .
Co1 Co 0.48177(3) 0.060094(13) 0.16472(3) 0.01606(10) Uani 1 1 d .
H5W H 0.3210 -0.0177 0.1026 0.080 Uiso 1 1 d .
H6W H 0.6552 0.0972 0.1125 0.080 Uiso 1 1 d .
H7W H 0.7202 0.1381 -0.0772 0.080 Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C6 C1 O4 118.3(2) . .
C6 C1 C2 122.8(2) . .
O4 C1 C2 118.8(2) . .
C3 C2 C1 117.1(2) . .
C3 C2 C7 122.9(2) . .
C1 C2 C7 119.9(2) . .
C2 C3 C4 121.5(2) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C5 C4 C3 119.9(2) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 121.3(2) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C1 C6 C5 117.3(2) . .
C1 C6 C10 122.2(2) . .
C5 C6 C10 120.5(2) . .
C2 C7 C9 114.3(2) . .
C2 C7 C8 109.5(2) . .
C9 C7 C8 110.0(2) . .
C2 C7 H7 107.6 . .
C9 C7 H7 107.6 . .
C8 C7 H7 107.6 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C6 C10 C11 110.56(18) . .
C6 C10 C12 112.0(2) . .
C11 C10 C12 110.3(2) . .
C6 C10 H10 108.0 . .
C11 C10 H10 108.0 . .
C12 C10 H10 108.0 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 C14 122.7(2) . .
N1 C13 H13 118.6 . .
C14 C13 H13 118.6 . .
C15 C14 C13 119.7(2) . .
C15 C14 H14 120.1 . .
C13 C14 H14 120.1 . .
C14 C15 C21 119.1(2) . .
C14 C15 H15 120.5 . .
C21 C15 H15 120.5 . .
C17 C16 C21 120.9(2) . .
C17 C16 H16 119.5 . .
C21 C16 H16 119.5 . .
C16 C17 C23 122.0(2) . .
C16 C17 H17 119.0 . .
C23 C17 H17 119.0 . .
C19 C18 C23 119.7(2) . .
C19 C18 H18 120.2 . .
C23 C18 H18 120.2 . .
C18 C19 C20 119.1(2) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
N2 C20 C19 123.3(2) . .
N2 C20 H20 118.4 . .
C19 C20 H20 118.4 . .
C15 C21 C22 117.6(2) . .
C15 C21 C16 123.5(2) . .
C22 C21 C16 118.9(2) . .
N1 C22 C21 123.0(2) . .
N1 C22 C24 116.7(2) . .
C21 C22 C24 120.27(19) . .
C18 C23 C24 117.3(2) . .
C18 C23 C17 124.6(2) . .
C24 C23 C17 118.1(2) . .
N2 C24 C23 122.9(2) . .
N2 C24 C22 117.27(19) . .
C23 C24 C22 119.8(2) . .
O5 C25 H25A 109.5 . .
O5 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
O5 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O6 C26 H26A 109.5 . .
O6 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
O6 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O7 C27 H27A 109.5 . .
O7 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O7 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C13 N1 C22 117.87(19) . .
C13 N1 Co1 127.26(14) . .
C22 N1 Co1 114.86(15) . .
C20 N2 C24 117.69(19) . .
C20 N2 Co1 127.84(16) . .
C24 N2 Co1 114.44(14) . .
P1 O1 Co1 134.96(9) . .
P1 O2 Co1 133.76(9) 3_655 .
C1 O4 P1 122.91(12) . .
C25 O5 Co1 119.08(15) . .
C25 O5 H5W 108.12(19) . .
Co1 O5 H5W 98.94(11) . .
C26 O6 Co1 120.70(14) . .
C26 O6 H6W 106.68(18) . .
Co1 O6 H6W 100.95(12) . .
C27 O7 H7W 108.9(2) . .
O1 P1 O2 114.72(9) . 3_655
O1 P1 O3 111.94(9) . .
O2 P1 O3 112.78(8) 3_655 .
O1 P1 O4 103.88(8) . .
O2 P1 O4 106.45(8) 3_655 .
O3 P1 O4 106.12(8) . .
O1 Co1 O2 103.49(6) . .
O1 Co1 N1 165.51(6) . .
O2 Co1 N1 90.44(6) . .
O1 Co1 N2 89.63(6) . .
O2 Co1 N2 166.49(7) . .
N1 Co1 N2 76.73(7) . .
O1 Co1 O6 89.12(6) . .
O2 Co1 O6 86.15(6) . .
N1 Co1 O6 95.86(6) . .
N2 Co1 O6 90.93(6) . .
O1 Co1 O5 86.16(6) . .
O2 Co1 O5 89.72(6) . .
N1 Co1 O5 90.00(6) . .
N2 Co1 O5 94.41(6) . .
O6 Co1 O5 172.85(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.385(3) .
C1 O4 1.400(3) .
C1 C2 1.404(3) .
C2 C3 1.382(3) .
C2 C7 1.508(3) .
C3 C4 1.384(3) .
C3 H3 0.9500 .
C4 C5 1.370(3) .
C4 H4 0.9500 .
C5 C6 1.397(3) .
C5 H5 0.9500 .
C6 C10 1.513(3) .
C7 C9 1.531(3) .
C7 C8 1.538(3) .
C7 H7 1.0000 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.523(3) .
C10 C12 1.529(3) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 N1 1.322(3) .
C13 C14 1.399(3) .
C13 H13 0.9500 .
C14 C15 1.372(3) .
C14 H14 0.9500 .
C15 C21 1.401(3) .
C15 H15 0.9500 .
C16 C17 1.342(4) .
C16 C21 1.434(3) .
C16 H16 0.9500 .
C17 C23 1.437(3) .
C17 H17 0.9500 .
C18 C19 1.369(3) .
C18 C23 1.393(3) .
C18 H18 0.9500 .
C19 C20 1.401(3) .
C19 H19 0.9500 .
C20 N2 1.322(3) .
C20 H20 0.9500 .
C21 C22 1.401(3) .
C22 N1 1.365(3) .
C22 C24 1.429(3) .
C23 C24 1.415(3) .
C24 N2 1.359(3) .
C25 O5 1.417(3) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 O6 1.422(3) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 O7 1.394(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
N1 Co1 2.1417(19) .
N2 Co1 2.1517(17) .
O1 P1 1.5025(15) .
O1 Co1 2.0024(15) .
O2 P1 1.5122(14) 3_655
O2 Co1 2.0139(14) .
O3 P1 1.5241(15) .
O4 P1 1.6263(15) .
O5 Co1 2.1990(15) .
O5 H5W 0.8214(15) .
O6 Co1 2.1809(15) .
O6 H6W 0.8221(14) .
O7 H7W 0.8409(17) .
P1 O2 1.5122(14) 3_655
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 4.6(3) . .
O4 C1 C2 C3 -178.69(18) . .
C6 C1 C2 C7 -171.7(2) . .
O4 C1 C2 C7 5.0(3) . .
C1 C2 C3 C4 -2.6(3) . .
C7 C2 C3 C4 173.6(2) . .
C2 C3 C4 C5 -0.3(3) . .
C3 C4 C5 C6 1.6(3) . .
O4 C1 C6 C5 179.81(17) . .
C2 C1 C6 C5 -3.5(3) . .
O4 C1 C6 C10 1.5(3) . .
C2 C1 C6 C10 178.20(19) . .
C4 C5 C6 C1 0.3(3) . .
C4 C5 C6 C10 178.6(2) . .
C3 C2 C7 C9 18.8(3) . .
C1 C2 C7 C9 -165.0(2) . .
C3 C2 C7 C8 -105.0(2) . .
C1 C2 C7 C8 71.1(3) . .
C1 C6 C10 C11 105.8(2) . .
C5 C6 C10 C11 -72.4(3) . .
C1 C6 C10 C12 -130.8(2) . .
C5 C6 C10 C12 51.0(3) . .
N1 C13 C14 C15 -0.1(4) . .
C13 C14 C15 C21 -0.4(3) . .
C21 C16 C17 C23 0.7(4) . .
C23 C18 C19 C20 0.2(4) . .
C18 C19 C20 N2 -0.3(4) . .
C14 C15 C21 C22 0.8(3) . .
C14 C15 C21 C16 -179.9(2) . .
C17 C16 C21 C15 -179.4(2) . .
C17 C16 C21 C22 -0.1(3) . .
C15 C21 C22 N1 -0.9(3) . .
C16 C21 C22 N1 179.8(2) . .
C15 C21 C22 C24 178.4(2) . .
C16 C21 C22 C24 -0.9(3) . .
C19 C18 C23 C24 0.2(3) . .
C19 C18 C23 C17 -179.9(2) . .
C16 C17 C23 C18 179.7(2) . .
C16 C17 C23 C24 -0.4(4) . .
C18 C23 C24 N2 -0.7(3) . .
C17 C23 C24 N2 179.4(2) . .
C18 C23 C24 C22 179.3(2) . .
C17 C23 C24 C22 -0.6(3) . .
N1 C22 C24 N2 0.6(3) . .
C21 C22 C24 N2 -178.8(2) . .
N1 C22 C24 C23 -179.41(19) . .
C21 C22 C24 C23 1.3(3) . .
C14 C13 N1 C22 0.0(3) . .
C14 C13 N1 Co1 -178.90(17) . .
C21 C22 N1 C13 0.5(3) . .
C24 C22 N1 C13 -178.8(2) . .
C21 C22 N1 Co1 179.51(17) . .
C24 C22 N1 Co1 0.2(2) . .
C19 C20 N2 C24 -0.1(3) . .
C19 C20 N2 Co1 -178.20(16) . .
C23 C24 N2 C20 0.6(3) . .
C22 C24 N2 C20 -179.37(19) . .
C23 C24 N2 Co1 178.93(16) . .
C22 C24 N2 Co1 -1.0(2) . .
C6 C1 O4 P1 -101.2(2) . .
C2 C1 O4 P1 82.0(2) . .
Co1 O1 P1 O2 95.88(13) . 3_655
Co1 O1 P1 O3 -34.29(15) . .
Co1 O1 P1 O4 -148.35(11) . .
C1 O4 P1 O1 -123.88(16) . .
C1 O4 P1 O2 -2.41(18) . 3_655
C1 O4 P1 O3 117.96(17) . .
P1 O1 Co1 O2 -44.56(13) . .
P1 O1 Co1 N1 119.2(3) . .
P1 O1 Co1 N2 138.68(12) . .
P1 O1 Co1 O6 -130.39(12) . .
P1 O1 Co1 O5 44.23(12) . .
P1 O2 Co1 O1 -41.91(14) 3_655 .
P1 O2 Co1 N1 142.11(13) 3_655 .
P1 O2 Co1 N2 124.1(2) 3_655 .
P1 O2 Co1 O6 46.26(13) 3_655 .
P1 O2 Co1 O5 -127.89(13) 3_655 .
C13 N1 Co1 O1 -161.6(2) . .
C22 N1 Co1 O1 19.5(4) . .
C13 N1 Co1 O2 2.64(19) . .
C22 N1 Co1 O2 -176.30(15) . .
C13 N1 Co1 N2 178.4(2) . .
C22 N1 Co1 N2 -0.56(14) . .
C13 N1 Co1 O6 88.81(19) . .
C22 N1 Co1 O6 -90.13(15) . .
C13 N1 Co1 O5 -87.08(19) . .
C22 N1 Co1 O5 93.97(15) . .
C20 N2 Co1 O1 3.91(18) . .
C24 N2 Co1 O1 -174.23(15) . .
C20 N2 Co1 O2 -162.5(2) . .
C24 N2 Co1 O2 19.4(4) . .
C20 N2 Co1 N1 179.0(2) . .
C24 N2 Co1 N1 0.85(14) . .
C20 N2 Co1 O6 -85.21(19) . .
C24 N2 Co1 O6 96.66(15) . .
C20 N2 Co1 O5 90.02(19) . .
C24 N2 Co1 O5 -88.11(15) . .
C26 O6 Co1 O1 -37.49(17) . .
C26 O6 Co1 O2 -141.08(17) . .
C26 O6 Co1 N1 128.87(17) . .
C26 O6 Co1 N2 52.12(17) . .
C26 O6 Co1 O5 -86.2(5) . .
C25 O5 Co1 O1 -142.30(17) . .
C25 O5 Co1 O2 -38.76(17) . .
C25 O5 Co1 N1 51.68(17) . .
C25 O5 Co1 N2 128.37(17) . .
C25 O5 Co1 O6 -93.5(5) . .
